SCHEMBL2673201

SCHEMBL2673201

CCc1cc(-c2ccco2)c(C)nc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.42
▸ NPC1 O15118 6/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ TP53 P04637 2/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ KDM4E B2RXH2 9/20 0.40
▸ ALDH1A1 P00352 8/20 0.40
▸ MAPT P10636 6/20 0.40
▸ HPGD P15428 6/20 0.40
▸ HSD17B10 Q99714 6/20 0.40
▸ MEN1 O00255 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ USP2 O75604 4/20 0.40
▸ TSHR P16473 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 4/20 0.40
▸ RECQL P46063 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ ALOX12 P18054 2/20 0.39
▸ THRB P10828 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2672909 0.75 ALDH1A1 (0.40) RAB9ANPC1SMN1; SMN2TP53L3MBTL1
SCHEMBL2673340 0.72 MAPT (0.39) RAB9ANPC1SMN1; SMN2TP53L3MBTL1
SCHEMBL2673088 0.72 ALDH1A1 (0.43) RAB9ANPC1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL2673574 0.71 NOS1 (0.56) —
SCHEMBL2674115 0.70 APOBEC3A (0.47) RAB9ANPC1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL2673093 0.70 APOBEC3A (0.33) PIK3R1PIK3CA
SCHEMBL2672881 0.70 APOBEC3A (0.38) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL2673810 0.70 HSD17B10 (0.40) SMN1; SMN2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2673207 0.69 APOBEC3A (0.37) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL2673740 0.69 APOBEC3A (0.37) RAB9ANPC1SMN1; SMN2KDM4EMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732896-B1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMA INC (US) 2012-12-12 — — EP claimed
US-20120202795-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-08-09 — — US claimed
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2007-02-08 — — US claimed
EP-1732896-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) Aventis Pharmaceuticals Inc. (US) 2006-12-20 — — EP claimed
WO-2005097750-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2005-10-20 — — WO claimed
EP-1732896-B1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMA INC (US) 2012-12-12 — — EP disclosed
US-20120202795-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-08-09 — — US disclosed
US-8173682-B2 Substituted pyridones as inhibitors of poly(ADP-ribose) polymerase (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-05-08 — — US disclosed
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2007-02-08 — — US disclosed
EP-1732896-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) Aventis Pharmaceuticals Inc. (US) 2006-12-20 — — EP disclosed
WO-2005097750-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2005-10-20 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120202795-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 RAB9A 3524/4885NPC1 4028/4885SMN1; SMN2 1358/4885
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 RAB9A 3524/4885NPC1 4028/4885SMN1; SMN2 1358/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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